Geometry & MOs

Info

ID:	224969
PubChem CID:	85735196
Reduced:	ClFNO3C17H17 (1)
Stoich.:	ABCD3E17F17 (1)
Weight, g/mol:	372.03611
ΔH_f, kcal/mol:	-155.95
Dipole, Da:	7.2
IP(EA), eV:	-9.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-bromopropoxy)-2-(4-methylphenyl)chromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2F)N.Cl

DOS

IR

Vibrations